2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide

• ChemBase ID: 740043
• Molecular Formular: C17H20N4O2S
• Molecular Mass: 344.4313
• Monoisotopic Mass: 344.1306969
• SMILES: n1c(CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)csc1C
• Canonical SMILES: O=C(Cc1csc(n1)C)NC1CCN(CC1)C(=O)c1ccncc1
• InChI: InChI=1S/C17H20N4O2S/c1-12-19-15(11-24-12)10-16(22)20-14-4-8-21(9-5-14)17(23)13-2-6-18-7-3-13/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,22)
• InChIKey: IZNCRAAIHMSNMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
• Synonyms: N-(1-isonicotinoyl-4-piperidinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.765057
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.081408925
• LogD (pH = 7.4): 0.08558444
• Log P: 0.08563787
• Molar Refractivity: 91.5975 cm^3
• Polarizability: 34.811386 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.13
• LOG S: -2.06
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 4